6-chloro-2,3-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine

C12H15ClN4 — CID 135217363

IUPAC6-chloro-2,3-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine
SMILESCc1nc2c(N3CCCC3)cc(Cl)nn2c1C
InChIInChI=1S/C12H15ClN4/c1-8-9(2)17-12(14-8)10(7-11(13)15-17)16-5-3-4-6-16/h7H,3-6H2,1-2H3
InChIKeyUBRPLBRZNLYVJJ-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.60
Rot. Bonds1

About 6-chloro-2,3-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine

6-chloro-2,3-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine (PubChem CID 135217363) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 6-chloro-2,3-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-2,3-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine
PubChem CID135217363
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name6-chloro-2,3-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine
SMILESCc1nc2c(N3CCCC3)cc(Cl)nn2c1C
InChIInChI=1S/C12H15ClN4/c1-8-9(2)17-12(14-8)10(7-11(13)15-17)16-5-3-4-6-16/h7H,3-6H2,1-2H3
InChIKeyUBRPLBRZNLYVJJ-UHFFFAOYSA-N
XLogP2.60
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-2,3-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine (CID 135217363) is 6-chloro-2,3-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-2,3-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-2,3-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine is Cc1nc2c(N3CCCC3)cc(Cl)nn2c1C.
What is the InChIKey of 6-chloro-2,3-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine?
The InChIKey is UBRPLBRZNLYVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-8-9(2)17-12(14-8)10(7-11(13)15-17)16-5-3-4-6-16/h7H,3-6H2,1-2H3.
What are the key properties of 6-chloro-2,3-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine?
6-chloro-2,3-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine has a molecular weight of 250.73 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 135217363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).